# generated using pymatgen data_Ca2La3Si3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.74793942 _cell_length_b 9.74793942 _cell_length_c 7.13603200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999604 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2La3Si3O13 _chemical_formula_sum 'Ca4 La6 Si6 O26' _cell_volume 587.23655282 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.33333300 0.66666700 0.00338900 1.0 Ca Ca1 1 0.66666700 0.33333300 0.99661100 1.0 Ca Ca2 1 0.66666700 0.33333300 0.50338900 1.0 Ca Ca3 1 0.33333300 0.66666700 0.49661100 1.0 La La4 1 0.75992000 0.74825500 0.75000000 1.0 La La5 1 0.24008000 0.25174500 0.25000000 1.0 La La6 1 0.98833500 0.24008000 0.75000000 1.0 La La7 1 0.01166500 0.75992000 0.25000000 1.0 La La8 1 0.25174500 0.01166500 0.75000000 1.0 La La9 1 0.74825500 0.98833500 0.25000000 1.0 Si Si10 1 0.59767100 0.96968000 0.75000000 1.0 Si Si11 1 0.40232900 0.03032000 0.25000000 1.0 Si Si12 1 0.37200900 0.40232900 0.75000000 1.0 Si Si13 1 0.62799100 0.59767100 0.25000000 1.0 Si Si14 1 0.03032000 0.62799100 0.75000000 1.0 Si Si15 1 0.96968000 0.37200900 0.25000000 1.0 O O16 1 0.40309200 0.87101600 0.75000000 1.0 O O17 1 0.59690800 0.12898400 0.25000000 1.0 O O18 1 0.46792400 0.59690800 0.75000000 1.0 O O19 1 0.53207600 0.40309200 0.25000000 1.0 O O20 1 0.12898400 0.53207600 0.75000000 1.0 O O21 1 0.87101600 0.46792400 0.25000000 1.0 O O22 1 0.66071100 0.91061300 0.93171600 1.0 O O23 1 0.33928900 0.08938700 0.06828400 1.0 O O24 1 0.24990200 0.33928900 0.93171600 1.0 O O25 1 0.33928900 0.08938700 0.43171600 1.0 O O26 1 0.75009800 0.66071100 0.06828400 1.0 O O27 1 0.66071100 0.91061300 0.56828400 1.0 O O28 1 0.08938700 0.75009800 0.93171600 1.0 O O29 1 0.75009800 0.66071100 0.43171600 1.0 O O30 1 0.91061300 0.24990200 0.06828400 1.0 O O31 1 0.24990200 0.33928900 0.56828400 1.0 O O32 1 0.91061300 0.24990200 0.43171600 1.0 O O33 1 0.08938700 0.75009800 0.56828400 1.0 O O34 1 0.83825200 0.51215700 0.75000000 1.0 O O35 1 0.16174800 0.48784300 0.25000000 1.0 O O36 1 0.67390400 0.16174800 0.75000000 1.0 O O37 1 0.32609600 0.83825200 0.25000000 1.0 O O38 1 0.48784300 0.32609600 0.75000000 1.0 O O39 1 0.51215700 0.67390400 0.25000000 1.0 O O40 1 0.00000000 0.00000000 0.75000000 1.0 O O41 1 0.00000000 0.00000000 0.25000000 1.0